2-Chloro-5-iodotoluene

Base Information

• Chemical Name: 2-Chloro-5-iodotoluene
• CAS No.: 116632-41-8
• Molecular Formula: C7H6ClI
• Molecular Weight: 252.482
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80400781
• Mol file: 116632-41-8.mol

Synonyms:2-Chloro-5-iodotoluene;116632-41-8;1-chloro-4-iodo-2-methylbenzene;Benzene, 1-chloro-4-iodo-2-methyl-;MFCD03093903;1-chloro-4-iodo-2-methyl-benzene;2-chloro-5-iodo-toluene;SCHEMBL79161;2-Chloro-5-iodotoluene, 98%;DTXSID80400781;MMBDKGFWRIYSRD-UHFFFAOYSA-N;AKOS015890118;DS-0812;SY020701;AM20060490;C3318;CS-0094381;FT-0642843;A19657;EN300-7365705;J-508854

Chemical Property of 2-Chloro-5-iodotoluene

Chemical Property:

• Vapor Pressure: 0.053mmHg at 25°C
• Melting Point: 10 °C
• Refractive Index: n20/D 1.624(lit.)
• Boiling Point: 242.4 °C at 760 mmHg
• Flash Point: 100.4 °C
• PSA: 0.00000
• Density: 1.806 g/cm³
• LogP: 3.25300
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 251.92028
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-iodotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)I)Cl
• Uses: 2-Chloro-5-iodotoluene may be used to synthesize:1-(4-chloro-3-methylphenyl)-1H-pyrrolo[2,3-c]pyridinebromomethyl-2-chloro-5-iodobenzene3-(4′-chloro-3′-tolyl)thiophene

Technology Process of 2-Chloro-5-iodotoluene

There total 7 articles about 2-Chloro-5-iodotoluene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-methylchlorobenzene (95-49-8) → 1-chloro-4-iodo-2-methylbenzene (116632-41-8) + 3-chloro-4-methyliodobenzene (83846-48-4)

Guidance literature:

With potassium nitrate; potassium iodide; In water; trifluoroacetic acid; at 20 ℃; for 15h; Product distribution;

Reference yield:

→ 1-chloro-4-iodo-2-methylbenzene (116632-41-8) + 2-chloro-6-iodotoluene (42048-11-3) + 2-chloro-1-iodo-3-methylbenzene (116632-40-7) + 3-chloro-4-methyliodobenzene (83846-48-4)

Guidance literature:

Reference yield:

2-methylchlorobenzene (95-49-8) → 1-chloro-4-iodo-2-methylbenzene (116632-41-8)

Guidance literature:

With iodine; nitric acid; acetic acid;

DOI:10.1053/ajkd.2001.27754

upstream raw materials:

2-methylchlorobenzene

3-methyl-4-chloroaniline

iodine

nitric acid

Downstream raw materials:

4-Chlor-3-methyl-biphenyl

2-chloro-5-iodobenzylamine

2-chloro-5-(3-hydroxypropynyl)benzylamine

N-(2-chloro-5-iodobenzyl)phthalimide